methyl 3-isothiocyanato-5-phenylthiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-isothiocyanato-5-phenylthiophene-2-carboxylate
methyl 3-isothiocyanato-5-phenylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-8488 |
| Compound Name: | methyl 3-isothiocyanato-5-phenylthiophene-2-carboxylate |
| Molecular Weight: | 275.35 |
| Molecular Formula: | C13 H9 N O2 S2 |
| Smiles: | COC(c1c(cc(c2ccccc2)s1)N=C=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6654 |
| logD: | 4.6654 |
| logSw: | -4.5031 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 30.1715 |
| InChI Key: | QTLQILDACUTMFA-UHFFFAOYSA-N |